cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane

C5H5P — CID 177468839

IUPACcyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane
SMILES[2H]P([2H])C1=C=CC=C1
InChIInChI=1S/C5H5P/c6-5-3-1-2-4-5/h1-3H,6H2/i6D2
InChIKeyXKLRTIXBQGIOKN-NCYHJHSESA-N
MW98.08 g/mol
LogP1.47
Rot. Bonds1

About cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane

cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane (PubChem CID 177468839) has the molecular formula C5H5P and a molecular weight of 98.08 g/mol. Its IUPAC name is cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane.

Molecular Properties

Compound Namecyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane
PubChem CID177468839
Molecular FormulaC5H5P
Molecular Weight98.08 g/mol
Exact Mass98.03
IUPAC Namecyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane
SMILES[2H]P([2H])C1=C=CC=C1
InChIInChI=1S/C5H5P/c6-5-3-1-2-4-5/h1-3H,6H2/i6D2
InChIKeyXKLRTIXBQGIOKN-NCYHJHSESA-N
XLogP1.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane?
The IUPAC name of cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane (CID 177468839) is cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane.
What is the SMILES notation for cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane?
The canonical SMILES for cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane is [2H]P([2H])C1=C=CC=C1.
What is the InChIKey of cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane?
The InChIKey is XKLRTIXBQGIOKN-NCYHJHSESA-N. The full InChI is InChI=1S/C5H5P/c6-5-3-1-2-4-5/h1-3H,6H2/i6D2.
What are the key properties of cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane?
cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane has a molecular weight of 98.08 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,2,4-trien-1-yl(dideuterio)phosphane is sourced from PubChem (CID 177468839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).